CID 3456263

510761-52-1

Structural Information

Molecular Formula
C25H20N6O2
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CN=CC=C5
InChI
InChI=1S/C25H20N6O2/c26-22-19(24(32)28-15-17-7-2-1-3-8-17)13-20-23(31(22)16-18-9-6-11-27-14-18)29-21-10-4-5-12-30(21)25(20)33/h1-14,26H,15-16H2,(H,28,32)
InChIKey
DHZLXICVUXSSLM-UHFFFAOYSA-N
Compound name
N-benzyl-6-imino-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.16476 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.17204 204.7
[M+Na]+ 459.15398 223.0
[M+NH4]+ 454.19858 210.5
[M+K]+ 475.12792 213.3
[M-H]- 435.15748 211.4
[M+Na-2H]- 457.13943 215.6
[M]+ 436.16421 209.2
[M]- 436.16531 209.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.